noinil / genesis_cg_tool
Prepare topology and coordinate file for CG models in Genesis.
☆11Updated 7 months ago
Alternatives and similar repositories for genesis_cg_tool:
Users that are interested in genesis_cg_tool are comparing it to the libraries listed below
- MDToolbox.jl: A Julia package for molecular dynamics trajectories analysis and modeling of biomolecules☆21Updated last month
- Source, test set, and document for Molecular Dynamics software, GENESIS.☆32Updated 2 months ago
- general purpose coarse-grained molecular dynamics simulation package☆33Updated 2 years ago
- C++11/Python3 library to read/write High Speed AFM data file☆13Updated 2 years ago
- Coarse-grained molecular model of DNA (LAMMPS plugin)☆17Updated 3 years ago
- GraphVAMPnets combines graph neural networks with variational approach for Markovian process (VAMP) theory to identify the slow collectiv…☆11Updated last year
- The MDAnalysis Toolkits Registry☆17Updated last week
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆12Updated last year
- Fast PBC wrapping and unwrapping for VMD☆23Updated 4 months ago
- Equivariant GNN for the prediction of atomic multipoles up to quadrupoles.☆30Updated 2 years ago
- 分子シミュレーションの理論や関連 するトピックをまとめたノート☆25Updated last year
- OpenMM plugin to interface with XTB☆16Updated 2 months ago
- Enhanced sampling methods for molecular dynamics simulations☆36Updated 2 years ago
- ☆11Updated 2 months ago
- Endstate corrections from MM to QML potential☆12Updated last year
- Source code for HOLE program.☆35Updated 8 months ago
- Repository for MD methods and analysis from submitted or published work☆17Updated last year
- A fast solver for large scale MBAR/UWHAM equations☆39Updated 7 months ago
- Physical validation of molecular simulations☆56Updated 2 weeks ago
- A. Alenaizan's restricted electrostatic potential (RESP) plugin to Psi4☆32Updated 5 years ago
- Source code and input files associated to the paper "Targeted free energy perturbation revisited: Accurate free energies from mapped refe…☆13Updated 3 years ago
- Rigid Body Dynamics with OpenMM☆12Updated 6 years ago
- Get access to our MD data files.☆28Updated last year
- Dihedral scanner with wavefront propagation☆33Updated last year
- Encoding of transition probabilities with undirected graphical models☆9Updated 6 years ago
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆78Updated 7 months ago
- NAMD's psfgen + Python improvements☆15Updated 7 months ago
- Software package for spin dynamics☆10Updated 2 weeks ago
- An example of how to write a plugin for OpenMM☆31Updated last year
- A Python toolkit for the analyis of lipid membrane simulations☆30Updated last month